SCHEMBL9034385

SCHEMBL9034385

O=C(CCN1CCSC1)c1ccc(Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
KMT2A Q03164 3/20 0.61
MAPT P10636 2/20 0.61
SIGMAR1 Q99720 5/20 0.54
HTR1A P08908 5/20 0.52
HPGD P15428 2/20 0.52
LMNA P02545 1/20 0.52
TSHR P16473 1/20 0.52
HTT P42858 1/20 0.52
DRD2 P14416 4/20 0.50
SOD1 P00441 1/20 0.50
HSD17B10 Q99714 1/20 0.49
DRD4 P21917 1/20 0.48
HTR7 P34969 2/20 0.48
HRH1 P35367 2/20 0.48
DRD3 P35462 2/20 0.48
HTR2B P41595 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9035205 0.85 SIGMAR1 (0.54) KMT2ASIGMAR1HTR1ATSHRHTT
SCHEMBL9035090 0.85 KMT2A (0.59) ALDH1A1KMT2AMAPTSIGMAR1HTR1A
SCHEMBL9035245 0.85 KMT2A (0.62) ALDH1A1KMT2AMAPTSIGMAR1HTR1A
SCHEMBL9036283 0.83 ALDH1A1 (0.52) ALDH1A1KMT2AMAPTSIGMAR1HTR1A
SCHEMBL9035735 0.82 ALDH1A1 (0.42) ALDH1A1KMT2AMAPTHPGDLMNA
SCHEMBL9035941 0.81 KMT2A (0.51) ALDH1A1KMT2AMAPTHTR1AHPGD
Hydrochloric Acid SCHEMBL5954525 0.78 ALDH1A1 (0.72) ALDH1A1KMT2AMAPTSIGMAR1HTR1A
SCHEMBL17033397 0.78 ALDH1A1 (0.72) ALDH1A1KMT2AMAPTSIGMAR1HTR1A
SCHEMBL9036253 0.77 SIGMAR1 (0.52) ALDH1A1KMT2ASIGMAR1HTR1ATSHR
SCHEMBL9036006 0.77 MAPT (0.51) ALDH1A1KMT2AMAPTHTR1AHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0411775-B1 Heterocyclic compounds containing nitrogen and sulfur, processes for their preparation and pharmaceutical compositions thereof RICHTER GEDEON VEGYESZET (HU) 1996-03-13 EP claimed
US-5096902-A Cerebral antihypoxic action, senile dememtia, Alzheimer's, cognitive functions RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1992-03-17 US claimed
EP-0411775-A1 Heterocyclic compounds containing nitrogen and sulfur, processes for their preparation and pharmaceutical compositions thereof RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1991-02-06 EP claimed
EP-0411775-B1 Heterocyclic compounds containing nitrogen and sulfur, processes for their preparation and pharmaceutical compositions thereof RICHTER GEDEON VEGYESZET (HU) 1996-03-13 EP disclosed
EP-0411775-A1 Heterocyclic compounds containing nitrogen and sulfur, processes for their preparation and pharmaceutical compositions thereof RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1991-02-06 EP disclosed